SCHEMBL9740846

SCHEMBL9740846

COc1cc(Br)cc2c[c][nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PRNP P04156 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PIM1 P11309 2/20 0.37
NQO2 P16083 2/20 0.37
ERN1 O75460 3/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MAOB P27338 2/20 0.33
APP P05067 1/20 0.32
AXL P30530 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9740260 0.79 PDE3B (0.40) ALDH1A1MAPTNQO2
SCHEMBL2301175 0.72 BRD4 (0.43) RXFP1ALDH1A1PRNPMAPTNPSR1
SCHEMBL9739954 0.72 ALDH1A1 (0.37) ALDH1A1MAPTNQO2MAOBAXL
SCHEMBL5865329 0.72 KDM4E (0.46) ALDH1A1MAPTNQO2POLB
SCHEMBL9740482 0.70 CA2 (0.44) ALDH1A1MAPTNQO2AXLGRIN2D
SCHEMBL4477746 0.69 CA12 (0.41) ALDH1A1MAPTNQO2ALOX15ALOX12
SCHEMBL14995475 0.69 AXL (0.51) RXFP1ALDH1A1PRNPMAPTNPSR1
SCHEMBL7271023 0.68 CA12 (0.43) RXFP1MAPTPIM1NQO2ERN1
SCHEMBL8158740 0.66 ERN1 (0.44) RXFP1ALDH1A1PRNPMAPTNPSR1
SCHEMBL1318287 0.66 RXFP1 (0.37) RXFP1ALDH1A1PRNPMAPTNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed